>compound Leucylleucyltyrosine_Leucylleucyltyrosine
#instrument UPLC Q-Tof Premier, Waters
>formula C21H33N3O5
#smiles CC(C)CC(N)C(=O)NC(CC(C)C)C(=O)NC(C(O)=O)Cc(c1)ccc(O)c1
#RECORD LC-ESI-QTOF_train_data/PR100161.txt;LC-ESI-QTOF_train_data/PR100579.txt
>charge 1
>ionization [M+H]+
>parentmass 408.24981

>collision 5-60
86.0971 2334.0
199.1823 949.4
227.1766 846.9
408.2498 309.0

>collision 5-60
119.0512 519.2
129.1039 1219.0
180.0673 2065.0
225.162 593.6
242.189 1106.0
362.248 647.2
406.2342 4200.0

